CID 122155840

N-(1,1-dioxo-1lambda6-thiolan-3-yl)-n-[(4-methoxyphenyl)methyl]prop-2-enamide

Structural Information

Molecular Formula
C15H19NO4S
SMILES
COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C=C
InChI
InChI=1S/C15H19NO4S/c1-3-15(17)16(13-8-9-21(18,19)11-13)10-12-4-6-14(20-2)7-5-12/h3-7,13H,1,8-11H2,2H3
InChIKey
CYGRIEGAZTYTHA-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1035 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11078 170.6
[M+Na]+ 332.09272 179.3
[M+NH4]+ 327.13732 178.4
[M+K]+ 348.06666 172.2
[M-H]- 308.09622 172.6
[M+Na-2H]- 330.07817 176.3
[M]+ 309.10295 172.7
[M]- 309.10405 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.